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BDBM312343 2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid::US9604977, Example 89

SMILES: OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F

InChI Key: InChIKey=OMFJWDPFOODASH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312343   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM312343
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O4S2/c19-18(20,21)12-7-28-15(22-12)13-10-4-5-27-6-11(10)29-16(13)23-14(24)8-2-1-3-9(8)17(25)26/h7H,1-6H2,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312343
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O4S2/c19-18(20,21)12-7-28-15(22-12)13-10-4-5-27-6-11(10)29-16(13)23-14(24)8-2-1-3-9(8)17(25)26/h7H,1-6H2,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair